(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate

C13H14N2O5 — CID 86687690

IUPAC(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate
SMILESCOc1ccc(COC(=O)Nc2cocn2)c(OC)c1
InChIInChI=1S/C13H14N2O5/c1-17-10-4-3-9(11(5-10)18-2)6-20-13(16)15-12-7-19-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyIERXEUSHCOLIRV-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.44
Rot. Bonds5

About (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate

(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate (PubChem CID 86687690) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate
PubChem CID86687690
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate
SMILESCOc1ccc(COC(=O)Nc2cocn2)c(OC)c1
InChIInChI=1S/C13H14N2O5/c1-17-10-4-3-9(11(5-10)18-2)6-20-13(16)15-12-7-19-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyIERXEUSHCOLIRV-UHFFFAOYSA-N
XLogP2.44
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
CID 24874415
methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate
CID 155776782
(2,4-dimethoxyphenyl)methyl 2-methylidene-4-oxohexanoate
CID 167370671
(2,4-dimethoxyphenyl)methylurea
CID 53362457
(2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 154965261
(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 166726717
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 11588450
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate
CID 57226067
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate
CID 134112809

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate?
The IUPAC name of (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate (CID 86687690) is (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate is COc1ccc(COC(=O)Nc2cocn2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate?
The InChIKey is IERXEUSHCOLIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-17-10-4-3-9(11(5-10)18-2)6-20-13(16)15-12-7-19-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,15,16).
What are the key properties of (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate?
(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate has a molecular weight of 278.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate is sourced from PubChem (CID 86687690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).